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题名: Multiphoton ionization and density functional studies of pyrimidine-(water)(n) clusters
作者: Zhang, BL;  Cai, Y;  Mu, XL;  Lou, NQ;  Wang, XY
刊名: JOURNAL OF CHEMICAL PHYSICS
发表日期: 2002-08-22
DOI: 10.1063/1.1494783
卷: 117, 期:8, 页:3701-3710
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Physics
英文摘要: The multiphoton ionization of pyrimidine-(water)(n) clusters at conditions of supersonic expansion is studied using a time-of-flight mass spectrometer at the wavelengths of 355 and 532 nm. At both wavelengths, a series of protonated C4H4N2-(H2O)(n)H+ cluster ions are obtained. The production of these protonated cluster ions requires an intracluster proton transfer reaction. The protonated products are also suggested to relate to the excitation or ionization of water molecules. Ab initio calculations show that the dissociation of C4H4N2-(H2O)(n)(+) cluster ions prefer to produce protonated ions. Two ways of producing protonated cluster ions are discussed. The reaction mechanism of intracluster proton transfer and the geometric structures of pyrimidine-(water)(n) clusters were depicted. The proton pulling effect and the atomic charge changes in the protonated cluster ions are also discussed. (C) 2002 American Institute of Physics.
关键词[WOS]: HYDROGEN-BONDED COMPLEXES ;  METASTABLE DECOMPOSITION ;  BINARY CLUSTERS ;  PROTON-TRANSFER ;  PYRIMIDINE ;  WATER ;  MOLECULES ;  DISSOCIATION ;  SPECTROSCOPY ;  AZABENZENES
语种: 英语
WOS记录号: WOS:000177351100018
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/139211
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China

Recommended Citation:
Zhang, BL,Cai, Y,Mu, XL,et al. Multiphoton ionization and density functional studies of pyrimidine-(water)(n) clusters[J]. JOURNAL OF CHEMICAL PHYSICS,2002,117(8):3701-3710.
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